MMs03181353 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 -0.0601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.4440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8129 1.9643 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8129 0.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 1.1319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1000 0.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 2.0615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0865 2.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7177 3.4684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1177 4.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 3.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 4.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0469 4.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7128 5.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 1.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -0.3669 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0583 3.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 4.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4519 4.3154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 5.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6291 3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 3.9406 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 1.9015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 1.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7437 -0.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 5.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8344 5.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 20 -1 M END